4-phenyl-2-sulfanylidene-3,9-dihydropyrimido[4,5-b]indole-6-carbonitrile

Systemtic Name: 4-phenyl-2-sulfanylidene-3,9-dihydropyrimido[4,5-b]indole-6-carbonitrile Openeye Name: 4-phenyl-2-thioxo-3,9-dihydropyrimido[4,5-b]indole-6-carbonitrile CAS Name: 4-phenyl-2-sulfanylidene-3,9-dihydropyrimido[4,5-b]indole-6-carbonitrile IUPAC Name: 4-phenyl-2-sulfanylidene-3,9-dihydropyrimido[4,5-b]indole-6-carbonitrile Traditional Name: 4-phenyl-2-thioxo-3,9-dihydropyrimid[4,5-b]indole-6-carbonitrile Formula: C17H10N4S MolecularWeight: 302.3531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)C#N)NC3=NC(=S)N2

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)C#N)NC3=NC(=S)N2

InChI

InChI=1S/C17H10N4S/c18-9-10-6-7-13-12(8-10)14-15(11-4-2-1-3-5-11)20-17(22)21-16(14)19-13/h1-8H,(H2,19,20,21,22)